Mexafylline
[CAS# 80294-25-3]

Identification

• Name: Mexafylline
• Synonyms: 3-(1-Cyclohex-3-Enylmethyl)-1,8-Dimethyl-7H-Purine-2,6-Quinone; 2,6(1H,3H)-Purinedione, 3-(3-Cyclohexen-1-Ylmethyl)-1,8-Dimethyl-; 3-(3-Cyclohexen-1-Yl-Methyl)-1,8-Dimethylxanthine
• Molecular Formula: C₁₄H₁₈N₄O₂
• Molecular Weight: 274.32
• CAS Registry Number: 80294-25-3
• SMILES: C(N1C2=C(C(=O)N(C1=O)C)[NH]C(=N2)C)C3CCC=CC3
• InChI: 1S/C14H18N4O2/c1-9-15-11-12(16-9)18(14(20)17(2)13(11)19)8-10-6-4-3-5-7-10/h3-4,10H,5-8H2,1-2H3,(H,15,16)
• InChIKey: ZYAHJRHHDCHNMX-UHFFFAOYSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 523.06°C at 760 mmHg (Cal.)
• Flash point: 270.137°C (Cal.)